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Ligand · XYQ

XYQ · (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate

XYQ, (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate (C17 H25 N5 O15 P2…

Component
XYQ
Formula
C17 H25 N5 O15 P2
Class
ligand
Structures
4
PDB entries
2

Binding sites

XYQ in 4 structures; the first of them:

  • 2HJH · Crystal Structure of the Sir2 deacetylase · XYQ A1222 · binds LYS222, GLY262, ALA263, GLY264, THR267, ASP273, PHE274, ARG275 and 17 more
  • 4BVG · Crystal structure of human SIRT3 in complex with native alkylimidate formed from… · XYQ B1000 · binds GLY145, ALA146, GLY147, THR150, PRO151, ASP156, PHE157, ARG158 and 22 more
  • 2HJH · Crystal structure of the SIR2 deacetylase · XYQ A1222 · binds LYS222, GLY262, ALA263, GLY264, THR267, ASP273, PHE274, ARG275 and 17 more
  • 4BVG · Crystal structure of human SIRT3 in complex with native alkylimidate formed from… · XYQ B1000 · binds GLY145, ALA146, GLY147, THR150, PRO151, ASP156, PHE157, ARG158 and 22 more

Residues it binds most

GLY 6, THR 6, ASP 6, PHE 6, ARG 6, ASN 6, SER 6, VAL 6, ALA 6, GLN 6 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • NCA · Nicotinamide
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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